Name: 4-isobutyryl-2-propylimidazole-5-carbonitrile
SMILES:
CCCc1nc(C(=O)C(C)C)c(C#N)[nH]1Molecular Processing
Molecular formula
C11H15N3O
Molecular weight
205.26
Exact mass
205.1215
XLogP
2.07
TPSA
69.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
56.47
Supplementary Information
Details werden geladen…
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